# generated using pymatgen
data_Ba2FeCuSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06267378
_cell_length_b   4.06267378
_cell_length_c   16.93598844
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2FeCuSeO3
_chemical_formula_sum   'Ba4 Fe2 Cu2 Se2 O6'
_cell_volume   279.53387929
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.74999900  0.74999900  0.18807697  1.0
  Ba  Ba1  1  0.74999900  0.74999900  0.41204408  1.0
  Ba  Ba2  1  0.25000000  0.25000000  0.58795592  1.0
  Ba  Ba3  1  0.25000000  0.25000000  0.81192303  1.0
  Fe  Fe4  1  0.25000000  0.25000000  0.31454240  1.0
  Fe  Fe5  1  0.74999900  0.74999900  0.68545760  1.0
  Cu  Cu6  1  0.74999900  0.25000000  0.00000000  1.0
  Cu  Cu7  1  0.25000000  0.74999900  0.00000000  1.0
  Se  Se8  1  0.25000000  0.25000000  0.08547279  1.0
  Se  Se9  1  0.74999900  0.74999900  0.91452721  1.0
  O  O10  1  0.74999900  0.25000000  0.29420503  1.0
  O  O11  1  0.25000000  0.74999900  0.29420503  1.0
  O  O12  1  0.25000000  0.25000000  0.42577291  1.0
  O  O13  1  0.74999900  0.74999900  0.57422709  1.0
  O  O14  1  0.74999900  0.25000000  0.70579497  1.0
  O  O15  1  0.25000000  0.74999900  0.70579497  1.0